>compound Hypotaurine_Hypotaurine
#instrument UPLC Q-Tof Premier, Waters
>formula C2H7NO2S
#smiles NCCS(O)=O
#RECORD LC-ESI-QTOF_train_data/PR100568.txt;LC-ESI-QTOF_train_data/PR100146.txt
>charge -1
>ionization [M-H]-
>parentmass 108.01195

>collision 5-60
63.9627 21.19
64.9719 5.545
108.0119 10.63

>collision 5-60
92.0174 4.209
110.0275 151.3

